(3S)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol;hydrochloride

C10H10Cl2F5NO — CID 171251476

IUPAC(3S)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol;hydrochloride
SMILESCl.N[C@@H](c1cc(Cl)cc(C(F)(F)F)c1)C(F)(F)CO
InChIInChI=1S/C10H9ClF5NO.ClH/c11-7-2-5(8(17)9(12,13)4-18)1-6(3-7)10(14,15)16;/h1-3,8,18H,4,17H2;1H/t8-;/m0./s1
InChIKeyBDYSEKPNQUEGCJ-QRPNPIFTSA-N
MW326.09 g/mol
LogP3.41
Rot. Bonds3

About (3S)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol;hydrochloride

(3S)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol;hydrochloride (PubChem CID 171251476) has the molecular formula C10H10Cl2F5NO and a molecular weight of 326.09 g/mol. Its IUPAC name is (3S)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol;hydrochloride
PubChem CID171251476
Molecular FormulaC10H10Cl2F5NO
Molecular Weight326.09 g/mol
Exact Mass325.01
IUPAC Name(3S)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol;hydrochloride
SMILESCl.N[C@@H](c1cc(Cl)cc(C(F)(F)F)c1)C(F)(F)CO
InChIInChI=1S/C10H9ClF5NO.ClH/c11-7-2-5(8(17)9(12,13)4-18)1-6(3-7)10(14,15)16;/h1-3,8,18H,4,17H2;1H/t8-;/m0./s1
InChIKeyBDYSEKPNQUEGCJ-QRPNPIFTSA-N
XLogP3.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.09
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol;hydrochloride with MolForge

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Related Compounds

(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171234964
(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171244734
(2S)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol
CID 66514953
(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol
CID 66514954
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512014
(3R)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]propanoic acid
CID 124514915
(1S,2R)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171271401
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoroethanamine
CID 131306985
(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine
CID 171215302
(3S)-3-amino-2,2-difluoro-3-(3,4,5-trifluorophenyl)propan-1-ol;hydrochloride
CID 171248283
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine
CID 171234941
(3S)-3-amino-3-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol
CID 171249463

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol;hydrochloride?
The IUPAC name of (3S)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol;hydrochloride (CID 171251476) is (3S)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol;hydrochloride.
What is the SMILES notation for (3S)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol;hydrochloride?
The canonical SMILES for (3S)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol;hydrochloride is Cl.N[C@@H](c1cc(Cl)cc(C(F)(F)F)c1)C(F)(F)CO.
What is the InChIKey of (3S)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol;hydrochloride?
The InChIKey is BDYSEKPNQUEGCJ-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H9ClF5NO.ClH/c11-7-2-5(8(17)9(12,13)4-18)1-6(3-7)10(14,15)16;/h1-3,8,18H,4,17H2;1H/t8-;/m0./s1.
What are the key properties of (3S)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol;hydrochloride?
(3S)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol;hydrochloride has a molecular weight of 326.09 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol;hydrochloride is sourced from PubChem (CID 171251476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).